S033-1489 Screening compound: N-(4-methoxy-2-methylphenyl)-6-(thiophene-2-sulfonamido)-2-azabicyclo[2.2.1]heptane-2-carboxamide

S033-1489 Screening compound: N-(4-methoxy-2-methylphenyl)-6-(thiophene-2-sulfonamido)-2-azabicyclo[2.2.1]heptane-2-carboxamide
S033-1489 Screening compound: N-(4-methoxy-2-methylphenyl)-6-(thiophene-2-sulfonamido)-2-azabicyclo[2.2.1]heptane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1489
N-(4-methoxy-2-methylphenyl)-6-(thiophene-2-sulfonamido)-2-azabicyclo[2.2.1]heptane-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S033-1489

Molecular Formula

C19H23N3O4S2 (C19 H23 N3 O4 S2)

Compound Name

N-(4-methoxy-2-methylphenyl)-6-(thiophene-2-sulfonamido)-2-azabicyclo[2.2.1]heptane-2-carboxamide

IUPAC name

(1R4S6S)-N-(4-methoxy-2-methylphenyl)-6-(thiophene-2-sulfonamido)-2-azabicyclo[2.2.1]heptane-2-carboxamide

SMILES

Cc(cc(cc1)OC)c1NC(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NS(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C19H23N3O4S2/c1-12-8-14(26-2)5-6-15(12)20-19(23)22-11-13-9-16(17(22)10-13)21-28(24,25)18-4-3-7-27-18/h3-8,13,16-17,21H,9-11H2,1-2H3,(H,20,23)/t13-,16+,17-/m0/s1

InChI Key

LKWFMHLBDNAIDP-XKQJLSEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.205

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.54

Polar Surface Area

75.342

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.10

S033-1489 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S033-1489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1489?
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What is the minimum amount of S033-1489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1489
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S033-1489 available by request